Identitet

Prucalopride Impurity 59

Ikke angivet · C30H46ClN3O13

01Identitet

Lazychem ID	LC-34159
CAS RN	Ikke angivet
PubChem CID	142438255
Molecular formula	C30H46ClN3O13
Molecular weight	692.1 g/mol
IUPAC name	5-chloro-4-[[(3S,4S,5R)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]amino]-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
InChIKey	QSSIKKIVQUEFCG-DUMKTDECSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Prucalopride Impurity 59 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	8
Ring count	5
Secondary amines	1
Tertiary amines	1

SMILES	COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)NC4([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)CO)Cl
InChI	Ikke angivet

03Stereochemistry

The published structure contains 8 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.